ethyl 3-[(4-ethanoyl-2-methoxy-phenoxy)methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(4-ethanoyl-2-methoxy-phenoxy)methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-acetyl-2-methoxy-phenoxy)methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(4-acetyl-2-methoxyphenoxy)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-acetyl-2-methoxyphenoxy)methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-acetyl-2-methoxy-phenoxy)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H19FO5S MolecularWeight: 402.435963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC3=C(C=C(C=C3)C(=O)C)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC3=C(C=C(C=C3)C(=O)C)OC

InChI

InChI=1S/C21H19FO5S/c1-4-26-21(24)20-14(19-15(22)6-5-7-18(19)28-20)11-27-16-9-8-13(12(2)23)10-17(16)25-3/h5-10H,4,11H2,1-3H3